[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2(CCCC2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2(CCCC2)C#N)C

InChI

InChI=1S/C18H22N2O3/c1-12-8-13(2)16(14(3)9-12)17(22)23-10-15(21)20-18(11-19)6-4-5-7-18/h8-9H,4-7,10H2,1-3H3,(H,20,21)